Structure Information
Structure

Compound Identification

SMILES

C[C@H](\C=C(/C)\C=C\C(\O)=C1/C(=O)CNC1=O)[C@H]1OC2(C)OC([C@@H]1C)C(=O)C1O[C@]21CO

InChIKey

InChIKey=LYJKREGDQDJIDC-OLLBESOUSA-N

Formula

C22H27NO8

Mass

433.457

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,4-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,4-dioxepanes

Alternative Parents

Ketals Pyrrolidine-3-ones Pyrrolidine-2-ones 1,3-dioxanes Oxanes Vinylogous acids Secondary carboxylic acid amides Cyclic ketones Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Enols Epoxides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes Primary alcohols

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

1,4-dioxepane - Ketal - Meta-dioxane - Oxane - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Pyrrolidine - Vinylogous acid - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ketone - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Dialkyl ether - Enol - Oxirane - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - Organic nitrogen compound - Carbonyl group - Aldehyde - Alcohol - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.

External Descriptors

Not available

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